A screw dislocation nucleated from a triple junction

Dislocation mechanism is still considered to be an effective way in plastic deformation of nanocrystalline materials. The possible nucleation of a screw dislocation from the triple junction is explored. The nucleation of a screw dislocation is found to be rather difficult from the triple junction with well-bonded grain boundaries due to the small singularity (0 to −1/3) introduced by the elasticity anisotropy. For the triple junction with a free sliding grain boundary, the stress singularity is higher than −0.5 and dislocations can be spontaneously nucleated for grain sizes less than 100 nm.     

纳米晶铜单向拉伸变形的分子动力学模拟

纳米材料是由尺度在1－100nm的微小颗粒组成的体系，由于它具有独特的性能而备受关注。本文简要地回顾了分子动力学在纳米材料研究中的应用，并运用它模拟了平均晶粒尺寸从1．79－5．38nm的纳米晶体的力学性质。模拟结果显示：随着晶粒尺寸的减小，系统与晶粒内部的原子平均能量升高，而晶界上则有所下降；纳米晶体的弹性模量要小于普通多晶体，并随着晶粒尺寸的减小而减小；纳米晶铜的强度随着晶粒的减小而减小，显示了反常的Hall-Petch效应；纳米晶体的塑性变形主要是通过晶界滑移与运动，以及晶粒的转动来实现的；位错运动起着次要的、有限的作用；在较大的应变下（约大于5％），位错运动开始起作用；这种作用随着晶粒尺寸的增加而愈加明显。     

Non-equilibrium grain boundary structure and inelastic deformation using atomistic simulations

Grain boundary influence on material properties becomes increasingly significant as grain size is reduced to the nanoscale. Nanostructured materials produced by severe plastic deformation techniques often contain a higher percentage of high-angle grain boundaries in a non-equilibrium or energetically metastable state. Differences in the mechanical behavior and observed deformation mechanisms are common due to deviations in grain boundary structure. Fundamental interfacial attributes such as atomic mobility and energy are affected due to a higher non-equilibrium state, which in turn affects deformation response. In this research, atomistic simulations employing a biased Monte Carlo method are used to approximate representative non-equilibrium bicrystalline grain boundaries based on an embedded atom method potential, leveraging the concept of excess free volume. An advantage of this approach is that non-equilibrium boundaries can be instantiated without the need of simulating numerous defect/grain boundary interactions. Differences in grain boundary structure and deformation response are investigated as a function of non-equilibrium state using Molecular Dynamics. A detailed comparison between copper and aluminum bicrystals is provided with regard to boundary strength, observed deformation mechanisms, and stress-assisted free volume evolution during both tensile and shear simulations.     

Preparation of Materials for Composite Photoelastic Models

For composite structural problems, modulus of elasticity may vary appreciably for different material zones. For example, a concrete dam founded on faulted or layered rock, a steel-framed building resting on a soil foundation or the bone-flesh interaction problem in biomechanics. For the exact representation of a composite structure, photoelastic materials of the same modular ratios as in the prototype should be used, provided such materials are available.     

A homogenization theory of strain gradient single crystal plasticity and its finite element discretization

In this study, a homogenization theory based on the Gurtin strain gradient formulation and its finite element discretization are developed for investigating the size effects on macroscopic responses of periodic materials. To derive the homogenization equations consisting of the relation of macroscopic stress, the weak form of stress balance, and the weak form of microforce balance, the Y-periodicity is used as additional, as well as standard, boundary conditions at the boundary of a unit cell. Then, by applying a tangent modulus method, a set of finite element equations is obtained from the homogenization equations. The computational stability and efficiency of this finite element discretization are verified by analyzing a model composite. Furthermore, a model polycrystal is analyzed for investigating the grain size dependence of polycrystal plasticity. In this analysis, the micro-clamped, micro-free, and defect-free conditions are considered as the additional boundary conditions at grain boundaries, and their effects are discussed.     

Two-dimensional complete rational analysis of functionally graded beams within symplectic framework

Exact solutions for generally supported functionally graded plane beams are given within the framework of symplectic elasticity. The Young’s modulus is assumed to exponentially vary along the longitudinal direction while the Poisson’s ratio remains constant. The state equation with a shift-Hamiltonian operator matrix has been established in the previous work, which is limited to the Saint-Venant solution. Here, a complete rational analysis of the displacement and stress distributions in the beam is presented by exploring the eigensolutions that are usually covered up by the Saint-Venant principle. These solutions play a significant role in the local behavior of materials that is usually ignored in the conventional elasticity methods but possibly crucial to the material/structure failures. The analysis makes full use of the symplectic orthogonality of the eigensolutions. Two illustrative examples are presented to compare the displacement and stress results with those for homogenous materials, demonstrating the effects of material inhomogeneity.     

Averaging Anisotropic Elastic Constant Data

A method of averaging the data on the anisotropic elastic constants of a material is presented. The anisotropic elastic constants are represented by the elasticity tensor which is expressed as a second rank tensor in a space of six dimensions. The method consists of averaging eigenbases of different measurements of the elasticity tensor, then averaging the eigenvalues referred to the average eigenbasis. The eigenvalues and eigenvectors are obtained by using a representation of the stress-strain relations due, in principle, to Kelvin [17, 18]. The formulas for the representation of the averaged elasticity tensor are simple and concise. The applications of these formulas are illustrated using previously reported data, and are contrasted with the traditional analysis of the same data by Hearmon [9]. An interesting result that emerges from this analysis is a method dealing with variable composition anisotropic elastic materials whose elastic constants depend upon the particular composition. In the case of porous isotropic materials, for example, it is customary to regress the Young's modulus against porosity. The results of this paper suggest a structure or paradigm for extending to anisotropic materials this empirical method of regressing elastic constant data against composition or porosity.     

有限厚度模型校准二维MoS2的Bimodal-AFM杨氏模量测量

二维材料因其独特的晶体结构、新奇的物理特性和优异的力学性能, 在微纳机电系统、柔性电子器件等诸多领域有着广阔的应用前景. 弹性模量是二维材料的基本力学特性参量之一, 对其器件应用及应变调控有重要影响. 受限于二维结构和原子级厚度特征, 难以实现二维材料弹性模量的精确测量. 双模原子力显微镜的振幅调制-频率调制模式是一种高效测量二维材料杨氏模量的方法, 但刚性衬底对测量结果的影响不可忽视. 本工作通过双模原子力显微镜直接测得衬底与二维硫化钼的杨氏模量分布图, 并基于有限厚度模型对衬底效应进行修正, 得到了样品的本征杨氏模量值. 利用第一性原理计算得到了二维二硫化钼的弹性系数和杨氏模量, 对比发现实验和计算结果相当. 这说明双模原子力显微镜测量是一种可靠的二维材料杨氏模量直接测试方法, 且该方法无需制备悬空二维材料等繁琐步骤, 避免了常规测试中的不足. 本工作为大面积二维材料薄膜力学性能的程序化测试分析以及高通量力学实验数据的统计分析提供了可靠的实验基础.      

Extreme conditions of elastic constants and principal axes of anisotropy

This paper describes the derivation of extreme conditions of each elasticity coefficient (Young’s modulus, shear modulus, et al.,) for the general case of linear-elastic anisotropic materials. The stationarity conditions are obtained, and they determine the orthogonal coordinate systems being the principal axes of anisotropy, where the number of independent elasticity constants decreases from 21 to 18 and, in some cases of anisotropy, to 15 or lower. The example of a material with cubic symmetry is given.     

Influence of anisotropic elasticity on the mechanical properties of fivefold twinned nanowires

Previous atomistic simulations and experiments have shown an increased Young's modulus and yield strength of fivefold twinned (FT) face-centered cubic metal nanowires (NWs) when compared to single crystalline (SC) NWs of the same orientation. Here we report the results of atomistic simulations of SC and FT Ag, Al, Au, Cu and Ni NWs with diameters between 2 and 50 nm under tension and compression. The simulations show that the differences in Young's modulus between SC and FT NWs are correlated with the elastic anisotropy of the metal, with Al showing a decreased Young's modulus. We develop a simple analytical model based on disclination theory and constraint anisotropic elasticity to explain the trend in the difference of Young's modulus between SC and FT NWs. Taking into account the role of surface stresses and the elastic properties of twin boundaries allows to account for the observed size effect in Young's modulus. The model furthermore explains the different relative yield strengths in tension and compression as well as the material and loading dependent failure mechanisms in FTNWs.     

Material structure and size effects on the nonlinear dynamics of electrostatically-actuated nano-beams

An accurate nonlinear model for electrostatically actuated beams made of nanocrystalline materials is proposed accounting for the beam material structure and the beam size effects. Two sets of measures are incorporated in the context of the proposed model to account for the inherent properties (the material structure related properties) and the acquired properties (the size dependent properties) of the beam. The inherent properties of the beam are modeled via a micromechanical model while the acquired properties are modeled via a non-classical continuum beam theory. The micromechanical model for nanocrystalline materials is proposed where the necessary measures to account for the effects of the grain size, the voids percent and size, and the interface (grain boundary) are incorporated. All the measures presented in the micromechanical model are related to the material structure to correctly model the structure of nanocrystalline materials. According to the classical couple stress and Gurtin-Murdoch surface elasticity theories, a size-dependent Euler-Bernoulli beam model is developed to model the mechanics of electrostatically actuated nano-beams. For the first time, the impacts of the beam material structure along with the beam size on the nonlinear dynamics and pull-in instability behaviors of electrostatically actuated nano-beams are intensively studied. The performed analyses through the present effort reflect the great impacts of the beam material structure and the beam size on the static pull-in, the natural frequencies, the dynamic pull-in, and nonlinear dynamics of electrostatically actuated nano-beams.     

A comparison of static and dynamic properties of photoelastic materials

The dynamic values of the modulus of elasticity and photoelastic fringe constant of Homalite 100 and ten epoxy resins were determined. Of those tested, it was found that five exhibited desirable dynamic properties including two materials which exhibited no appreciable change in fringe constant. Included in this group of five materials were three materials which can be purchased in precast shapes; thus, enabling laboratories without casting facilities to obtain suitable materials for dynamic photoelastic experiments.     

Calculation of effective elastic moduli of composite materials with multiphase interactions taken into consideration

The effective tensors of elastic moduli and pliability were calculated by renormalizing the equations of equilibrium and incompatibility. All multiphase interactions were taken into consideration, but the calculation was done approximately by using only the singular parts of derivatives of Green's functions, which is equivalent to the assumption of uniformity of the random components of stress and strain fields within grain boundaries. Solutions derived by two methods are reconciled, making it possible to determine the position of the elastic moduli of shear and of bulk K between the Hashin-Shtrikman bounds. Particular cases in which only the bulk modulus is not uniform, as well as those of composite materials with all of their constituents having the same ratio K=4/3 are considered.     

Mesoscale modeling of nonlinear elasticity and fracture in ceramic polycrystals under dynamic shear and compression

Dynamic deformation and failure mechanisms in polycrystalline ceramics are investigated through constitutive modeling and numerical simulation. Two ceramics are studied: silicon carbide (SiC, hexagonal crystal structure) and aluminum oxynitride (AlON, cubic crystal structure). Three dimensional finite element simulations incorporate nonlinear anisotropic elasticity for behavior of single crystals within polycrystalline aggregates, cohesive zone models for intergranular fracture, and contact interactions among fractured interfaces. Boundary conditions considered include uniaxial strain compression, uniaxial stress compression, and shear with varying confinement, all at high loading rates. Results for both materials demonstrate shear-induced dilatation and increasing shear strength with increasing confining pressure. Failure statistics for unconfined loading exhibit a smaller Weibull modulus (corresponding to greater scatter in peak failure strength) in AlON than in SiC, likely a result of lower prescribed cohesive fracture strength and greater elastic anisotropy in the former. In both materials, the predicted Weibull modulus tends to decrease with an increasing number of grains contained in the simulated microstructure.     

The scale effect on the yield strength of nanocrystalline materials

The microstructure of the nanocrystalline can be divided generally into two parts: grain and interface. When the grain size is about or less than 10 nm, the interface can be divided into grain boundary and triple junctions. The mechanical performance of nanocrystalline materials with complicated microstructures is greatly different from that of the coarse grain materials. In this paper, the nanocrystalline material is considered as a composite with three phases: the grain core, the grain boundaries, and the triple junction. The model analysis for nanocrystalline material deformation is established and the relationship between yield strength and grain size is obtained. The obtained result explains the inverse Hall–Petch relation.     

异弹模光弹材料性能的试验研究

本文叙述了不同弹模材料的制作、材料光学和力学性能的测试及其主要结果。分析了不同弹模材料在不同温度条件下的基本特性和变化规律。探讨了固化剂、高分子树脂含量与材料性能的相互关系和影响。     

不同模量理论计算轴对称空间问题

工程中使用的多数材料实际上拉、压机械性能都是不同的.本文利用不同模量弹性理论,结合有限元法,以位移为参考标准,用迭代法,编制了电算程序.计算了轴对称壳获得了一些有益的结论.     

曲梁压电俘能器强迫振动的格林函数解

本文运用格林函数法求解了曲梁压电俘能器在强迫振动下的解析解.运用微分法分析了压电层合曲梁结构面内各内力,根据曲梁压电 俘能器的动力学方程组,基于压电本构关系,建立了包含径向阻尼但不考虑俘能器曲梁结构部分的轴向力以及轴向惯性项的Prescott力 电耦合模型. 采用Laplace变换法求得了耦合振动方程的格林函数解.根据叠加原理和格林函数的物理意义,对耦合的系统方程解耦进而 求得强迫振动下曲梁压电俘能器的输出电压. 数值计算中,通过与现有文献的解析解进行对比,验证了本文解析解的有效性,并研究了阻 尼、电阻等重要物理参数对压电函数和谐振频率的影响.通过与有关传统直梁压电俘能器研究成果的对比,体现了曲梁压 电俘能器Prescott模型的高效集能特性. 数值分析研究表明:(1)使得曲梁俘能器达到最大输出电压时连接的最优负载电 阻为1 M$\Omega$;(2)通过更换适当的基底材料,降低材料的弹性模量,可以改变曲梁俘能器的高基频现象,以使结构适应 更复杂的工作环境,但这会导致俘能器的工作效率降低.      

Effect of modulus ratio on stress near a discontinuous fiber

The effect of the fiber to matrix modulus of elasticity ratio varying from 1.0 to 200 was investigated for a two-dimensional plane-stress composite configuration having a simulated fiber volume fraction of 0.45 and containing a discontinuous fiber. Uniaxial loading parallel to the fibers was considered. Two independent techniques were used: moiré strain analysis and finite-element analysis. Displacements were measured from four experimental models by utilizing optical fringe-multiplication techniques. The finite-element method yielded stresses which agreed closely with those obtained from the experimental analysis. Matrix stress-concentration factor near the discontinuous fiber was found to increase rapidly with increasing modulus ratio, reaching a value of 20 for a modulus ratio of 200. The finite-element method was shown to be a valuable tool for micromechanical stress analysis of composite materials, and the accuracy of strain analysis by moiré-fringemultiplication techniques was demonstrated for problems containing sever strain gradients.